1-(2-fluoro-5-nitrophenyl)-2-methylpropane-2-sulfonamide

C10H13FN2O4S — CID 129030640

IUPAC1-(2-fluoro-5-nitrophenyl)-2-methylpropane-2-sulfonamide
SMILESCC(C)(Cc1cc([N+](=O)[O-])ccc1F)S(N)(=O)=O
InChIInChI=1S/C10H13FN2O4S/c1-10(2,18(12,16)17)6-7-5-8(13(14)15)3-4-9(7)11/h3-5H,6H2,1-2H3,(H2,12,16,17)
InChIKeyBSTHSWYYFWFANN-UHFFFAOYSA-N
MW276.29 g/mol
LogP1.34
Rot. Bonds4

About 1-(2-fluoro-5-nitrophenyl)-2-methylpropane-2-sulfonamide

1-(2-fluoro-5-nitrophenyl)-2-methylpropane-2-sulfonamide (PubChem CID 129030640) has the molecular formula C10H13FN2O4S and a molecular weight of 276.29 g/mol. Its IUPAC name is 1-(2-fluoro-5-nitrophenyl)-2-methylpropane-2-sulfonamide.

Molecular Properties

Compound Name1-(2-fluoro-5-nitrophenyl)-2-methylpropane-2-sulfonamide
PubChem CID129030640
Molecular FormulaC10H13FN2O4S
Molecular Weight276.29 g/mol
Exact Mass276.06
IUPAC Name1-(2-fluoro-5-nitrophenyl)-2-methylpropane-2-sulfonamide
SMILESCC(C)(Cc1cc([N+](=O)[O-])ccc1F)S(N)(=O)=O
InChIInChI=1S/C10H13FN2O4S/c1-10(2,18(12,16)17)6-7-5-8(13(14)15)3-4-9(7)11/h3-5H,6H2,1-2H3,(H2,12,16,17)
InChIKeyBSTHSWYYFWFANN-UHFFFAOYSA-N
XLogP1.34
TPSA103.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.29
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-(2-fluoro-5-nitrophenyl)-N-methylmethanamine
CID 82669041
(3S)-3-amino-3-[(2-fluoro-5-nitrophenyl)methyl]pentanoic acid
CID 174655408
CID 90126367
CID 90126367
2-(2-fluoro-5-nitrophenyl)acetaldehyde
CID 87087844
tert-butyl 2-[(2-fluoro-5-nitrophenyl)methyl]-3-oxobutanoate
CID 155487649
2-fluoro-N-(2-hydroxy-2-methylbutyl)-5-nitrobenzenesulfonamide
CID 65113170
(2-fluoro-5-nitrophenyl)methyl-methylcarbamic acid
CID 122652855
2-ethyl-5-nitrophenol
CID 18980077
2-ethyl-4-nitrobenzenesulfonyl chloride
CID 87194881
2-fluoro-5-nitrobenzenesulfonic acid;hydrochloride
CID 174777146
4-nitro-2-(2,2,2-trifluoroethyl)aniline
CID 21397755
(2-fluoro-5-nitrophenyl)methyl 4-methylbenzenesulfonate
CID 86673337

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoro-5-nitrophenyl)-2-methylpropane-2-sulfonamide?
The IUPAC name of 1-(2-fluoro-5-nitrophenyl)-2-methylpropane-2-sulfonamide (CID 129030640) is 1-(2-fluoro-5-nitrophenyl)-2-methylpropane-2-sulfonamide.
What is the SMILES notation for 1-(2-fluoro-5-nitrophenyl)-2-methylpropane-2-sulfonamide?
The canonical SMILES for 1-(2-fluoro-5-nitrophenyl)-2-methylpropane-2-sulfonamide is CC(C)(Cc1cc([N+](=O)[O-])ccc1F)S(N)(=O)=O.
What is the InChIKey of 1-(2-fluoro-5-nitrophenyl)-2-methylpropane-2-sulfonamide?
The InChIKey is BSTHSWYYFWFANN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13FN2O4S/c1-10(2,18(12,16)17)6-7-5-8(13(14)15)3-4-9(7)11/h3-5H,6H2,1-2H3,(H2,12,16,17).
What are the key properties of 1-(2-fluoro-5-nitrophenyl)-2-methylpropane-2-sulfonamide?
1-(2-fluoro-5-nitrophenyl)-2-methylpropane-2-sulfonamide has a molecular weight of 276.29 g/mol, XLogP of 1.34, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoro-5-nitrophenyl)-2-methylpropane-2-sulfonamide is sourced from PubChem (CID 129030640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).